5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C16H23N5O — CID 56780372

IUPAC5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCCN2Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C16H23N5O/c1-12-8-17-21(9-12)10-14-4-2-3-7-20(14)11-15-18-16(22-19-15)13-5-6-13/h8-9,13-14H,2-7,10-11H2,1H3
InChIKeyUSDRYYSVKYHPLH-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.51
Rot. Bonds5

About 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780372) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780372
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCCN2Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C16H23N5O/c1-12-8-17-21(9-12)10-14-4-2-3-7-20(14)11-15-18-16(22-19-15)13-5-6-13/h8-9,13-14H,2-7,10-11H2,1H3
InChIKeyUSDRYYSVKYHPLH-UHFFFAOYSA-N
XLogP2.51
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780372) is 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cnn(CC2CCCCN2Cc2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is USDRYYSVKYHPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-8-17-21(9-12)10-14-4-2-3-7-20(14)11-15-18-16(22-19-15)13-5-6-13/h8-9,13-14H,2-7,10-11H2,1H3.
What are the key properties of 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 301.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).